Compound Detail
CHEMBL1196271
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Basic Information
| ChEMBL ID | CHEMBL1196271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEACNHXRZNVYRP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
217.4
MW (Da)
3.28
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.64 | 6.55 | 230.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 230.0 | nM | 6.64 | Displacement of [3H]spiperone from wild type human dopamine D3 receptor expresse... | 21388142 |
| D(3) dopamine receptor | Ki | = | 350.0 | nM | 6.46 | Displacement of [3H]spiperone from human dopamine D3 receptor V2.61F mutant expr... | 21388142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21388142 | 10.1021/jm101639t | D(3) dopamine receptor | 2 |
| 21388142 | 10.1021/jm101639t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine